NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.1837 8.1627 120.2788 54.6995 33.2378 173.9943 2 K 4.0792 8.5281 128.2798 56.2848 32.7096 175.0923 3 G 4.0068 8.6373 116.1481 44.8652 0.0000 171.4223 4 D 4.6659 8.4339 119.2743 54.0607 42.0574 177.1892 5 T 3.8538 8.9100 123.0177 66.9488 68.5501 176.5701 6 K 3.8189 8.1428 120.7441 59.0534 32.2052 178.8766 7 V 3.8647 8.5097 118.9057 66.2409 31.4570 177.9401 8 I 3.7963 7.7490 119.3852 64.5219 36.9216 178.1133 9 N 4.2411 8.2786 117.1784 56.4692 38.3810 177.0180 10 Y 4.1054 8.0110 117.9669 61.1391 38.0389 178.4401 11 L 3.8521 8.5474 120.1479 58.1730 41.7028 179.5618 12 N 4.3448 8.4955 116.5011 56.0066 38.4452 177.4724 13 K 3.8668 8.0134 121.0683 59.3913 32.3333 178.8590 14 L 3.8204 8.2516 119.5789 57.6692 41.4920 179.0419 15 L 4.0278 7.8367 120.6913 58.2466 41.8496 179.3148 16 G 3.6119 8.1406 105.5926 47.8771 0.0000 175.4030 17 N 4.3788 8.0207 118.9379 56.0550 38.5085 177.2802 18 E 4.1103 8.2889 120.2046 59.3162 29.1633 179.0359 19 L 4.3072 8.0702 118.6664 57.2378 40.7860 179.4286 20 V 3.6016 7.6948 120.5872 64.8397 31.4738 177.9960 21 A 3.9043 8.0687 121.7682 54.8429 18.2112 179.3919 22 I 3.7555 8.2050 118.6051 64.9573 37.1877 178.4499 23 N 4.4180 7.8923 116.1448 56.2708 38.3198 177.4472 24 Q 3.8352 8.3541 121.2470 59.3896 29.0866 177.8256 25 Y 4.2956 8.5222 118.2486 60.9766 37.9728 178.3261 26 F 3.9083 8.4800 121.7528 61.0020 39.6112 176.9424 27 L 3.9358 8.2645 120.0841 58.5675 41.8825 178.3520 28 H 3.8004 8.2818 116.0930 58.9325 28.6864 177.3257 29 A 4.1499 8.1076 122.2750 55.4624 18.2546 179.6421 30 R 3.9439 7.6042 114.9045 58.1334 30.2434 179.1642 31 M 3.4254 7.4682 119.3072 58.1239 31.9294 178.3651 32 F 4.5835 7.3972 117.9193 60.6602 39.1351 177.6906 33 K 3.9545 8.1541 119.0694 59.4645 31.7742 178.2327 34 N 4.2806 7.7159 116.1137 56.5662 39.0035 176.3720 35 W 4.7576 7.8309 117.2341 57.4412 29.0548 177.2270 36 G 3.9879 8.3417 108.2179 46.1409 0.0000 174.2522 37 L 4.7067 7.9417 121.9489 52.6687 38.1978 176.9871 38 K 3.8137 7.9755 122.9610 60.0089 32.6198 177.4037 39 R 3.9829 8.3340 118.8190 59.0832 29.9414 178.4023 40 L 4.1308 7.8727 118.8257 57.2853 41.4918 178.8261 41 N 4.5449 8.1710 116.7083 56.8259 39.0503 176.3165 42 D 4.3698 8.0419 120.2779 57.5719 40.9517 179.2341 43 V 3.3573 7.6316 118.2472 65.8659 31.5078 177.7427 44 E 3.8473 8.4132 119.2745 59.1448 29.5370 178.0020 45 Y 3.9760 8.4160 120.1780 61.0453 38.9062 177.6705 46 H 3.9711 8.2950 118.9988 59.2449 29.8742 177.0511 47 E 3.5510 7.7325 120.4281 58.6371 29.1170 178.9212 48 S 4.0492 7.6202 113.4343 61.5197 62.4225 176.3633 49 I 3.5130 7.1629 122.1046 64.2823 36.7863 177.9460 50 D 4.1805 7.6916 119.5933 57.6224 40.6312 178.8791 51 E 4.0013 8.0721 118.6885 59.6815 29.3895 179.4636 52 M 4.0411 7.9384 118.7114 58.3269 32.0132 178.8717 53 K 3.9625 7.9561 118.5839 59.6428 32.1895 179.0477 54 H 4.0784 8.2345 116.1854 58.8004 28.5998 177.5150 55 A 4.2157 8.2337 122.5785 55.3893 18.2448 178.9144 56 D 4.3002 8.4963 116.8181 57.7006 41.2193 178.7786 57 R 3.8585 8.0064 118.2226 59.5208 30.0868 178.5265 58 Y 4.3412 7.6887 116.2685 61.3001 37.8899 178.8862 59 I 3.7701 8.1694 120.7850 64.6872 37.2741 178.4685 60 E 4.0512 8.4020 119.2907 59.0862 29.1428 179.5348 61 R 4.0429 8.0932 118.9426 59.5142 30.1920 178.3911 62 I 3.7681 8.4275 119.9503 64.6159 37.1379 178.4311 63 L 4.0230 8.1853 119.6839 57.7572 41.2165 179.3766 64 F 4.3641 8.1489 119.7366 61.1409 39.6842 176.4359 65 L 4.3349 8.1360 117.9716 53.8560 41.2458 177.0932 66 E 3.8975 8.0262 117.6545 57.4518 27.0175 174.4530 67 G 3.9539 8.1491 108.0512 43.9912 0.0000 173.6946 68 L 4.5194 8.0166 119.0061 52.0328 42.0424 175.2309 69 P 4.4194 0.0000 0.0000 62.4768 31.7758 175.8225 70 N 4.7512 9.6428 122.3200 52.3381 39.1029 173.8655 71 L 4.6523 8.2847 124.2822 54.6574 42.5696 177.9739 72 Q 4.0880 8.5804 119.8696 58.7505 28.8322 176.4490 73 D 4.6576 8.0461 116.5567 53.0252 41.8746 175.4215 74 L 4.6117 8.2618 125.2938 52.6980 44.2551 176.3406 75 G 3.7985 8.4875 114.9539 44.6599 0.0000 172.3130 76 K 4.0232 8.3106 120.6679 55.9988 32.3003 176.2710 77 L 4.0780 8.4144 127.0443 54.3805 42.2313 176.0412 78 N 4.7824 8.8053 122.1721 51.9141 39.5677 173.2371 79 I 4.3550 8.1743 126.5853 59.6104 38.7334 176.6128 80 G 4.0419 8.6139 114.0794 44.9598 0.0000 172.7614 81 E 4.6610 8.7941 116.9253 56.5183 31.0206 176.5235 82 D 4.9649 7.6634 117.5765 50.2677 44.0280 176.0130 83 V 4.0295 8.5497 119.6413 66.7347 31.4076 177.6279 84 E 3.8119 8.2039 117.9093 59.4491 29.5719 177.9772 85 E 3.9904 8.5355 119.4029 59.6777 29.5851 178.9078 86 M 4.0773 8.5656 117.2374 58.3264 31.3985 178.5148 87 L 4.1205 8.5707 120.6509 57.6108 41.8801 179.5290 88 R 3.8958 8.6412 118.9058 59.3433 30.0429 178.5687 89 S 4.1122 8.3010 113.1663 61.3824 62.3236 175.8320 90 D 4.2235 8.1700 121.7039 57.0901 40.4583 178.4446 91 L 3.9862 8.1999 120.6619 58.3249 42.1739 178.9837 92 A 3.9850 7.9594 120.4437 54.9663 18.2213 179.4256 93 L 3.9398 7.8474 118.5910 58.1623 42.0922 178.9241 94 E 4.0597 8.5288 118.9030 59.5022 29.4755 179.2712 95 L 4.0249 8.1908 119.0902 58.0229 41.7793 179.4072 96 D 4.4846 8.3589 118.8657 57.3333 40.7862 179.0209 97 G 3.6940 8.3427 106.0394 47.7818 0.0000 175.5904 98 A 4.0523 8.4217 123.4239 54.6344 18.4862 179.4410 99 K 3.8170 8.0846 118.1956 60.0140 32.2699 178.6858 100 N 4.4120 8.1045 116.3156 56.2473 38.3364 177.4636 101 L 3.9757 8.0686 120.3464 57.8908 41.7562 179.5561 102 R 3.8908 8.1678 118.1570 59.2794 29.9890 178.7958 103 E 3.8444 8.0417 118.1219 59.2992 29.7434 178.6903 104 A 2.8102 7.7468 120.7727 54.7709 18.3094 179.7008 105 I 3.7350 7.9379 118.6235 64.4685 36.9654 178.9168 106 G 3.5944 7.6295 105.0377 47.8044 0.0000 174.9178 107 Y 4.0732 7.8553 121.6334 60.3448 38.9032 177.4122 108 A 3.8176 8.3500 122.2022 55.4964 18.5195 179.1202 109 D 4.0587 7.9278 116.3909 57.2540 41.0779 178.3080 110 S 4.1714 7.4759 113.2126 59.9714 63.3224 175.6974 111 V 3.9200 6.7802 114.1709 60.7382 31.5688 175.5145 112 H 2.9405 6.8862 113.3497 56.7983 26.9985 176.4391 113 D 4.5265 7.3233 121.3462 53.3357 37.8070 176.1636 114 Y 4.3071 7.4039 121.5366 60.5276 38.3659 178.1615 115 V 3.7357 7.8706 119.9137 64.6308 31.7841 178.3313 116 S 4.1609 8.2758 115.6375 61.5513 62.6537 176.6595 117 R 3.8824 8.1126 121.1392 59.4773 29.9083 178.0912 118 D 4.2911 8.3797 118.0647 57.4572 41.2629 177.6568 119 M 3.9804 8.3359 119.0858 59.2138 32.1315 178.2106 120 M 4.1513 8.3064 118.8320 58.3562 32.1131 178.8503 121 I 3.7555 8.1093 120.3797 64.2136 37.3409 178.3105 122 E 3.9624 8.0857 119.1167 59.4783 29.3331 179.4053 123 I 3.5683 7.6375 119.7991 64.2718 37.0685 178.2285 124 L 3.9676 8.2012 121.5499 58.1197 41.9752 178.9281 125 R 3.9030 8.0962 118.6664 59.5822 29.9708 178.2610 126 D 4.3505 7.9494 118.3287 57.2654 40.7963 178.6750 127 E 3.9187 8.1896 119.1187 59.3997 29.4543 178.6835 128 E 4.1097 8.6196 119.9343 59.4062 29.5168 179.2183 129 G 3.6433 7.8949 104.9426 48.2290 0.0000 175.3044 130 H 4.4293 8.1056 119.1790 58.5935 28.6667 177.8561 131 I 3.8191 8.4269 121.8979 64.5839 37.0136 177.7632 132 D 4.3755 8.4226 118.9169 57.1721 40.9366 178.1321 133 W 4.1294 8.5432 128.6337 60.5208 30.7280 177.5441 134 L 3.6914 8.2746 118.8418 58.0808 41.1927 179.4472 135 E 3.9029 8.3723 118.2074 59.8236 29.3322 179.7507 136 T 3.8091 7.8073 115.5112 66.5342 68.5106 176.5785 137 E 3.7764 7.7384 120.4801 59.4095 28.9394 179.4079 138 L 3.7630 7.8102 118.9961 57.9625 41.5876 179.4549 139 D 4.3251 8.1116 118.7004 57.2242 40.6163 178.8245 140 L 3.9804 8.0132 119.8302 57.6984 41.6762 179.4828 141 I 3.3704 7.5051 119.8645 64.3402 36.7190 178.2815 142 Q 3.9272 7.3992 118.5680 58.9060 28.9485 178.0160 143 K 4.1276 8.0379 119.1636 59.1213 32.3174 178.4728 144 M 4.3792 8.2958 114.4607 54.1595 32.3655 177.3479 145 G 4.0779 7.5317 104.8723 45.8271 0.0000 174.4415 146 L 3.9827 8.3415 120.5699 57.9730 42.1292 179.1932 147 Q 3.9997 8.0311 117.5125 59.2542 28.7847 178.5515 148 N 4.3517 8.1345 116.8834 56.2817 38.3938 176.6023 149 Y 3.9948 7.8623 120.1321 60.6842 39.1008 178.0269 150 L 4.0818 8.3475 120.0881 57.9757 41.6645 179.2133 151 Q 3.9064 8.2150 119.1924 59.1426 28.7104 177.8599 152 A 4.1475 7.7191 119.5576 53.4892 18.6430 178.2160 153 Q 4.3319 7.8618 116.1400 55.6089 29.1935 177.5119 154 I 3.9514 7.3775 121.2469 62.5721 37.4484 176.3290 155 R 4.5969 7.5434 119.6954 53.6664 32.2223 174.7738 156 E 4.0577 8.6251 123.4051 56.0330 30.3352 175.9261 157 E 3.9802 8.5930 123.4091 55.6504 30.3895 176.5582 *158 G 3.7297 8.6097 114.1482 45.8900 0.0000 172.1876 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.16 4.18 0.00 1.44 1.84 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.42 0.00 2 K 8.53 4.08 0.00 1.84 1.68 0.00 1.79 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.47 7.81 3 G 8.64 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 D 8.43 4.67 0.00 2.78 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.91 3.85 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 6 K 8.14 3.82 0.00 1.68 1.74 0.00 1.42 0.00 0.00 1.06 0.00 0.00 2.30 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.83 1.02 7.81 7 V 8.51 3.86 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 1.21 0.00 0.00 8 I 7.75 3.80 2.04 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.69 0.91 0.00 0.00 9 N 8.28 4.24 0.00 2.72 2.58 0.00 0.00 7.02 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 Y 8.01 4.11 0.00 3.31 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.55 3.85 0.00 2.00 1.78 1.08 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.50 4.34 0.00 2.87 2.82 0.00 0.00 6.70 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.01 3.87 0.00 1.77 1.95 0.00 1.60 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.45 1.46 7.81 14 L 8.25 3.82 0.00 1.08 1.18 0.92 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 15 L 7.84 4.03 0.00 1.67 1.85 1.03 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.14 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 N 8.02 4.38 0.00 2.98 2.92 0.00 0.00 7.05 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 E 8.29 4.11 0.00 2.31 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.85 0.00 19 L 8.07 4.31 0.00 1.90 1.94 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.69 3.60 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.97 0.00 0.00 21 A 8.07 3.90 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 I 8.21 3.76 2.05 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.86 0.89 0.00 0.00 23 N 7.89 4.42 0.00 2.92 2.87 0.00 0.00 6.73 7.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 Q 8.35 3.84 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.21 2.05 0.00 25 Y 8.52 4.30 0.00 3.25 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 F 8.48 3.91 0.00 3.45 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 8.26 3.94 0.00 1.94 1.58 0.88 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 28 H 8.28 3.80 0.00 3.44 3.23 0.00 5.70 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 A 8.11 4.15 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 R 7.60 3.94 0.00 1.72 1.85 0.00 3.19 0.00 0.00 3.03 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.55 0.00 31 M 7.47 3.43 0.00 0.96 1.57 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.16 0.00 32 F 7.40 4.58 0.00 3.31 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 8.15 3.95 0.00 1.95 1.80 0.00 1.59 0.00 0.00 1.50 0.00 0.00 2.77 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.42 7.81 34 N 7.72 4.28 0.00 2.71 2.68 0.00 0.00 7.32 8.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 W 7.83 4.76 0.00 3.73 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 G 8.34 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 7.94 4.71 0.00 2.15 1.66 1.09 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.98 3.81 0.00 2.02 1.83 0.00 1.59 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.51 1.58 7.81 39 R 8.33 3.98 0.00 2.09 1.99 0.00 3.49 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.79 0.00 40 L 7.87 4.13 0.00 1.73 1.10 1.09 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 41 N 8.17 4.54 0.00 3.15 3.01 0.00 0.00 7.22 8.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 D 8.04 4.37 0.00 2.73 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 V 7.63 3.36 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.63 0.00 0.00 0.69 0.00 0.00 44 E 8.41 3.85 0.00 2.55 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.76 0.00 45 Y 8.42 3.98 0.00 3.03 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 H 8.29 3.97 0.00 3.27 3.40 0.00 5.83 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 7.73 3.55 0.00 1.16 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.09 0.00 48 S 7.62 4.05 0.00 3.92 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 I 7.16 3.51 1.71 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.73 0.78 0.00 0.00 50 D 7.69 4.18 0.00 2.72 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.07 4.00 0.00 2.28 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.60 0.00 52 M 7.94 4.04 0.00 2.03 2.20 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.53 0.00 53 K 7.96 3.96 0.00 1.83 1.80 0.00 1.61 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.59 7.81 54 H 8.23 4.08 0.00 3.52 3.43 0.00 5.65 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.23 4.22 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 D 8.50 4.30 0.00 2.85 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 R 8.01 3.86 0.00 1.81 1.76 0.00 3.13 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.71 0.00 58 Y 7.69 4.34 0.00 3.23 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 I 8.17 3.77 2.04 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.81 0.95 0.00 0.00 60 E 8.40 4.05 0.00 2.04 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.63 0.00 61 R 8.09 4.04 0.00 2.12 2.23 0.00 3.37 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.86 0.00 62 I 8.43 3.77 2.07 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.87 0.96 0.00 0.00 63 L 8.19 4.02 0.00 2.10 1.80 0.95 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 64 F 8.15 4.36 0.00 3.02 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 L 8.14 4.33 0.00 1.82 1.62 0.99 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.03 3.90 0.00 2.07 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.26 0.00 67 G 8.15 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 L 8.02 4.52 0.00 1.62 1.63 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.42 0.00 2.06 2.02 0.00 3.65 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 70 N 9.64 4.75 0.00 2.59 2.81 0.00 0.00 7.09 8.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 L 8.28 4.65 0.00 1.63 1.65 0.94 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.58 4.09 0.00 2.21 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.62 6.74 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 73 D 8.05 4.66 0.00 2.64 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 L 8.26 4.61 0.00 1.52 1.50 0.92 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 75 G 8.49 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 K 8.31 4.02 0.00 1.72 1.74 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.40 7.81 77 L 8.41 4.08 0.00 1.64 1.56 0.96 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 78 N 8.81 4.78 0.00 2.63 2.71 0.00 0.00 7.17 8.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 I 8.17 4.35 1.88 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.53 0.93 0.00 0.00 80 G 8.61 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 E 8.79 4.66 0.00 2.01 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 82 D 7.66 4.96 0.00 2.77 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 V 8.55 4.03 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 1.26 0.00 0.00 84 E 8.20 3.81 0.00 2.01 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.27 0.00 85 E 8.54 3.99 0.00 2.24 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 86 M 8.57 4.08 0.00 2.18 1.74 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.97 0.00 87 L 8.57 4.12 0.00 1.99 1.77 1.27 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 88 R 8.64 3.90 0.00 2.08 1.94 0.00 3.09 0.00 0.00 3.08 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 89 S 8.30 4.11 0.00 4.05 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 D 8.17 4.22 0.00 3.05 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 L 8.20 3.99 0.00 1.81 1.87 0.98 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 92 A 7.96 3.98 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 L 7.85 3.94 0.00 1.87 1.82 0.91 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 94 E 8.53 4.06 0.00 2.27 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.72 0.00 95 L 8.19 4.02 0.00 2.02 1.75 0.96 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 96 D 8.36 4.48 0.00 2.92 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 G 8.34 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 A 8.42 4.05 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 K 8.08 3.82 0.00 2.07 1.94 0.00 1.55 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.56 7.81 100 N 8.10 4.41 0.00 3.01 2.90 0.00 0.00 7.11 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 L 8.07 3.98 0.00 1.99 1.73 1.02 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 102 R 8.17 3.89 0.00 1.97 1.99 0.00 3.14 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.96 0.00 103 E 8.04 3.84 0.00 2.08 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 104 A 7.75 2.81 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 I 7.94 3.74 1.85 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.79 0.91 0.00 0.00 106 G 7.63 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 Y 7.86 4.07 0.00 3.19 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 A 8.35 3.82 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 D 7.93 4.06 0.00 2.75 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 S 7.48 4.17 0.00 3.94 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 V 6.78 3.92 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 0.63 0.00 0.00 112 H 6.89 2.94 0.00 3.20 3.33 0.00 5.84 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.32 4.53 0.00 2.63 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 Y 7.40 4.31 0.00 3.12 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 V 7.87 3.74 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.97 0.00 0.00 116 S 8.28 4.16 0.00 4.20 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 R 8.11 3.88 0.00 1.89 2.16 0.00 3.34 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 118 D 8.38 4.29 0.00 2.94 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 M 8.34 3.98 0.00 2.25 2.04 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.48 0.00 120 M 8.31 4.15 0.00 2.14 2.23 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.92 2.79 0.00 121 I 8.11 3.76 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.05 0.92 0.00 0.00 122 E 8.09 3.96 0.00 2.17 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 123 I 7.64 3.57 1.95 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.77 0.69 0.00 0.00 124 L 8.20 3.97 0.00 1.84 1.83 0.94 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 125 R 8.10 3.90 0.00 2.06 2.13 0.00 3.15 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 126 D 7.95 4.35 0.00 3.04 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 E 8.19 3.92 0.00 2.17 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.52 0.00 128 E 8.62 4.11 0.00 2.30 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 129 G 7.89 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 H 8.11 4.43 0.00 3.63 3.61 0.00 5.65 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 I 8.43 3.82 2.12 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.85 0.97 0.00 0.00 132 D 8.42 4.38 0.00 2.94 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 W 8.54 4.13 0.00 3.54 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 L 8.27 3.69 0.00 2.01 1.75 1.21 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.37 3.90 0.00 2.13 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.51 0.00 136 T 7.81 3.81 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 137 E 7.74 3.78 0.00 1.51 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.47 0.00 138 L 7.81 3.76 0.00 1.76 1.61 0.88 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 139 D 8.11 4.33 0.00 2.77 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 L 8.01 3.98 0.00 1.90 1.84 0.98 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 141 I 7.51 3.37 1.69 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.03 0.69 0.00 0.00 142 Q 7.40 3.93 0.00 1.99 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.97 0.00 0.00 0.00 0.00 0.00 2.33 2.50 0.00 143 K 8.04 4.13 0.00 1.76 1.85 0.00 1.73 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.66 7.81 144 M 8.30 4.38 0.00 2.19 2.20 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.83 0.00 145 G 7.53 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 L 8.34 3.98 0.00 1.74 1.66 0.95 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 147 Q 8.03 4.00 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.68 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 148 N 8.13 4.35 0.00 2.96 2.89 0.00 0.00 6.68 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 Y 7.86 3.99 0.00 3.06 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 L 8.35 4.08 0.00 2.07 1.70 1.06 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 8.21 3.91 0.00 2.10 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.86 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 152 A 7.72 4.15 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 Q 7.86 4.33 0.00 1.93 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.75 0.00 0.00 0.00 0.00 0.00 2.17 2.17 0.00 154 I 7.38 3.95 2.01 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.86 0.91 0.00 0.00 155 R 7.54 4.60 0.00 1.70 1.75 0.00 3.23 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.55 0.00 156 E 8.63 4.06 0.00 2.13 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 157 E 8.59 3.98 0.00 1.95 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 *158 G 8.61 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.